N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C18H23ClF2N4O3 — CID 120923153

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)cc1OC(F)F.Cl
InChIInChI=1S/C18H22F2N4O3.ClH/c1-26-14-4-3-13(11-15(14)27-17(19)20)12-22-16(25)18(5-8-21-9-6-18)24-10-2-7-23-24;/h2-4,7,10-11,17,21H,5-6,8-9,12H2,1H3,(H,22,25);1H
InChIKeyIHQBPDGCEJNDKH-UHFFFAOYSA-N
MW416.86 g/mol
LogP2.31
Rot. Bonds7

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120923153) has the molecular formula C18H23ClF2N4O3 and a molecular weight of 416.86 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120923153
Molecular FormulaC18H23ClF2N4O3
Molecular Weight416.86 g/mol
Exact Mass416.14
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)cc1OC(F)F.Cl
InChIInChI=1S/C18H22F2N4O3.ClH/c1-26-14-4-3-13(11-15(14)27-17(19)20)12-22-16(25)18(5-8-21-9-6-18)24-10-2-7-23-24;/h2-4,7,10-11,17,21H,5-6,8-9,12H2,1H3,(H,22,25);1H
InChIKeyIHQBPDGCEJNDKH-UHFFFAOYSA-N
XLogP2.31
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922992
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936471
N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923550
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925389
N-[(3-chloro-4-fluorophenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921977
4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120920271
N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920936
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119674836
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921521
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924281

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120923153) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is COc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)cc1OC(F)F.Cl.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is IHQBPDGCEJNDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O3.ClH/c1-26-14-4-3-13(11-15(14)27-17(19)20)12-22-16(25)18(5-8-21-9-6-18)24-10-2-7-23-24;/h2-4,7,10-11,17,21H,5-6,8-9,12H2,1H3,(H,22,25);1H.
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 416.86 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120923153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).